CID 673703

2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC
InChI
InChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21)
InChIKey
XJSXKUVHNQWOPH-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

111
Patents

309.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.5
[M+Na]+ 332.08932 186.2
[M+NH4]+ 327.13392 178.0
[M+K]+ 348.06326 179.1
[M-H]- 308.09282 174.2
[M+Na-2H]- 330.07477 178.5
[M]+ 309.09955 173.9
[M]- 309.10065 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe